1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(o-tolylthio)ethanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c1-15-7-2-4-10-18(15)25-14-20(24)23-12-6-8-16(13-23)21-22-17-9-3-5-11-19(17)26-21/h2-5,7,9-11,16H,6,8,12-14H2,1H3/t16-/m1/s1